Information card for entry 4311144

Structure parameters

• Formula: C114 H98 Cl15 Mn9 N54 O55
• Calculated formula: C114 H84 Cl15 Mn9 N54 O55
• Title of publication: Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies
• Authors of publication: Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3812 - 3824
• a: 19.044 ± 0.002 Å
• b: 19.457 ± 0.002 Å
• c: 23.978 ± 0.003 Å
• α: 84.518 ± 0.003°
• β: 81.227 ± 0.003°
• γ: 60.954 ± 0.002°
• Cell volume: 7674.1 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2624
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.2855
• Weighted residual factors for all reflections included in the refinement: 0.3718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No